Synthesis and structural studies of 4-[(5-methoxy-1H-indole-3-yl)- methylene]-3-methyl-isoxazole-5-one by X-ray crystallography, NMR spectroscopy, and DFT calculations

Journal of Molecular Structure

Volumn 994, Issue 1-3, 2011, Pages 371-378

  Zhang, X H ^a,b   Wang, L Y ^a   Zhan, Y H ^b   Fu, Y L ^a   Zhai, G H ^a   Wen, Z Y ^a  

^a NORTHWEST UNIVERSITY   (China)

^b XIDIAN UNIVERSITY   (China)

Author keywords

interaction; DFT; H bond; Merocyanine dye with isoxazolone nucleus; NMR; X ray diffraction

Indexed keywords

ABSOLUTE DEVIATIONS; AROMATIC STACKING INTERACTIONS; ATOMIC ORBITAL; CORRELATION VALUE; CRYSTAL STACKING; DFT; DFT CALCULATION; DFT/GIAO; ELEMENTAL ANALYSIS; EXPERIMENTAL VALUES; H-BOND; HYDROGEN BONDING INTERACTIONS; ISOTROPIC SHIELDING; ISOXAZOLES; MEROCYANINE DYE; MEROCYANINE DYE WITH ISOXAZOLONE NUCLEUS; METHOXY; MOLECULAR ELECTROSTATIC POTENTIALS; MOLECULAR GEOMETRIES; NEGATIVE REGIONS; NMR; NMR SPECTROSCOPY; POLARIZABLE CONTINUUM MODEL; SPACE GROUPS; STRUCTURAL STUDIES; SUPRAMOLECULAR ARCHITECTURES; TAUTOMERIC FORMS; UV-VIS SPECTRA;

COMPLEXATION; CONTINUUM MECHANICS; CRYSTAL STRUCTURE; DIFFRACTION; HYDROGEN; HYDROGEN BONDS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION; X RAYS;

NUCLEAR MAGNETIC RESONANCE;

EID: 79955583592     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2011.03.052     Document Type: Article

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